s-{2-[(2-Chloroethyl)sulfanyl]ethyl} 2-ethylbutanethioate

Base Information

• Chemical Name: s-{2-[(2-Chloroethyl)sulfanyl]ethyl} 2-ethylbutanethioate
• CAS No.: 6276-36-4
• Molecular Formula: C₁₀H₁₉ClOS₂
• Molecular Weight: 254.845
• NSC Number: 36310
• DSSTox Substance ID: DTXSID30284250
• Wikidata: Q82019125
• Mol file: 6276-36-4.mol

Synonyms:6276-36-4;NSC36310;s-{2-[(2-chloroethyl)sulfanyl]ethyl} 2-ethylbutanethioate;DTXSID30284250;NSC-36310

Chemical Property of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} 2-ethylbutanethioate

Chemical Property:

• Vapor Pressure: 8.31E-05mmHg at 25°C
• Boiling Point: 340.9°C at 760 mmHg
• Flash Point: 160°C
• Density: 1.105g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 254.0565853
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)SCCSCCCl

Technology Process of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} 2-ethylbutanethioate

There total 1 articles about s-{2-[(2-Chloroethyl)sulfanyl]ethyl} 2-ethylbutanethioate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chlorure d'acide ethyl-2 butyrique (2736-40-5) + 2-(2-chloro-ethylsulfanyl)-ethanethiol (90802-17-8) → α-Ethylbutyrat des 2-Chlor-2'-mercapto-diethylsulfids (6276-36-4)

Guidance literature:

DOI:10.1021/jo01070a050

upstream raw materials:

chlorure d'acide ethyl-2 butyrique

2-(2-chloro-ethylsulfanyl)-ethanethiol